Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09HIM
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| Former ID |
DNC013541
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| Drug Name |
XR-9504
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| Synonyms |
XR-9504; CHEMBL258896; SCHEMBL7168501
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C34H35N3O4
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| Canonical SMILES |
CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CCN4CCC5=CC(=C(C=C5C4)OC)OC
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| InChI |
1S/C34H35N3O4/c1-23-8-12-25(13-9-23)33(38)36-30-7-5-4-6-29(30)34(39)35-28-14-10-24(11-15-28)16-18-37-19-17-26-20-31(40-2)32(41-3)21-27(26)22-37/h4-15,20-21H,16-19,22H2,1-3H3,(H,35,39)(H,36,38)
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| InChIKey |
YKXTXQJFMGBJLD-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Multidrug resistance protein 1 (ABCB1) | Target Info | Inhibitor | [1] |
| Multidrug resistance-associated protein 1 (ABCC1) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | ABC transporters | |||
| Sphingolipid signaling pathway | ||||
| Vitamin digestion and absorption | ||||
| MicroRNAs in cancer | ||||
| Bile secretion | ||||
| NetPath Pathway | IL6 Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| TCR Signaling Pathway | ||||
| Pathway Interaction Database | S1P1 pathway | |||
| Sphingosine 1-phosphate (S1P) pathway | ||||
| HIF-1-alpha transcription factor network | ||||
| Reactome | Cobalamin (Cbl, vitamin B12) transport and metabolism | |||
| ABC-family proteins mediated transport | ||||
| WikiPathways | Arachidonic acid metabolism | |||
| Irinotecan Pathway | ||||
| Metabolism of water-soluble vitamins and cofactors | ||||
| Nuclear Receptors in Lipid Metabolism and Toxicity | ||||
| Abacavir transport and metabolism | ||||
| Multi Drug Resistance Protein 1 (Glycoprotein 1) Regulation | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| Allograft Rejection | ||||
| Drug Induction of Bile Acid Pathway | ||||
| Codeine and Morphine Metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Functional assay and structure-activity relationships of new third-generation P-glycoprotein inhibitors. Bioorg Med Chem. 2008 Mar 1;16(5):2448-62. | |||
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